(3,5-Dimethylisoxazol-4-yl)methanethiol
TL;DR: (3,5-Dimethylisoxazol-4-yl)methanethiol (CAS 146796-45-4) is a chemical compound with molecular formula C6H9NOS and molecular weight 143.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
Also Known As: (3,5-dimethylisoxazol-4-yl)methanethiol, (dimethyl-1,2-oxazol-4-yl)methanethiol, (3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
| Molecular Formula | C6H9NOS |
|---|---|
| Molecular Weight | 143.04 g/mol |
| LogP | 1.72124 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.04048 |
| Heavy Atoms | 9 |
| Complexity | 187.32281 |
Chemical Identifiers
| CAS Number | 146796-45-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CS |
Product Overview
(3,5-Dimethylisoxazol-4-yl)methanethiol (CAS 146796-45-4), with molecular formula C6H9NOS and molecular weight 143.04 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methanethiol.
Chemical Property Profile of (3,5-Dimethylisoxazol-4-yl)methanethiol
Property Insights of (3,5-Dimethylisoxazol-4-yl)methanethiol
The XLogP value of 1.72124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethylisoxazol-4-yl)methanethiol. With a topological polar surface area (TPSA) of 26.03 Ų, (3,5-Dimethylisoxazol-4-yl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dimethylisoxazol-4-yl)methanethiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,5-Dimethylisoxazol-4-yl)methanethiol?
The CAS number of (3,5-Dimethylisoxazol-4-yl)methanethiol is 146796-45-4.
What is the molecular formula of (3,5-Dimethylisoxazol-4-yl)methanethiol?
The molecular formula of (3,5-Dimethylisoxazol-4-yl)methanethiol is C6H9NOS.
What is the molecular weight of (3,5-Dimethylisoxazol-4-yl)methanethiol?
The molecular weight of (3,5-Dimethylisoxazol-4-yl)methanethiol is 143.04 g/mol.
Where can I buy (3,5-Dimethylisoxazol-4-yl)methanethiol?
You can request a quote for (3,5-Dimethylisoxazol-4-yl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethylisoxazol-4-yl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethylisoxazol-4-yl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.